N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine

C22H25NO — CID 46229653

IUPACN-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine
SMILESCN(Cc1ccccc1)C12CC3CC(CC(C1)c1ccccc13)O2
InChIInChI=1S/C22H25NO/c1-23(15-16-7-3-2-4-8-16)22-13-17-11-19(24-22)12-18(14-22)21-10-6-5-9-20(17)21/h2-10,17-19H,11-15H2,1H3
InChIKeyKAKVRZUWLJNVOD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.67
Rot. Bonds3

About N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine

N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine (PubChem CID 46229653) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine
PubChem CID46229653
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine
SMILESCN(Cc1ccccc1)C12CC3CC(CC(C1)c1ccccc13)O2
InChIInChI=1S/C22H25NO/c1-23(15-16-7-3-2-4-8-16)22-13-17-11-19(24-22)12-18(14-22)21-10-6-5-9-20(17)21/h2-10,17-19H,11-15H2,1H3
InChIKeyKAKVRZUWLJNVOD-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine?
The IUPAC name of N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine (CID 46229653) is N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine.
What is the SMILES notation for N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine?
The canonical SMILES for N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine is CN(Cc1ccccc1)C12CC3CC(CC(C1)c1ccccc13)O2.
What is the InChIKey of N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine?
The InChIKey is KAKVRZUWLJNVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-23(15-16-7-3-2-4-8-16)22-13-17-11-19(24-22)12-18(14-22)21-10-6-5-9-20(17)21/h2-10,17-19H,11-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine?
N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine has a molecular weight of 319.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-amine is sourced from PubChem (CID 46229653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).